AI52951
57834-33-0 | Ethyl 4-[[(methylphenylamino)methylene]amino]benzoate
Manufacturer: A2B Chem
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CatalogNumber
AI52951
ChemicalName
Ethyl 4-[[(methylphenylamino)methylene]amino]benzoate
CasNumber
57834-33-0
MolecularFormula
C17H18N2O2
MolecularWeight
282.337
MdlNumber
MFCD09263624
Smiles
CCOC(=O)c1ccc(cc1)/N=C/N(c1ccccc1)C
Complexity
343
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
3
RotatableBondCount
6
Xlogp3
3.4
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CatalogNumber: AI52951
ChemicalName: Ethyl 4-[[(methylphenylamino)methylene]amino]benzoate
CasNumber: 57834-33-0
MolecularFormula: C17H18N2O2
MolecularWeight: 282.337
MdlNumber: MFCD09263624
Smiles: CCOC(=O)c1ccc(cc1)/N=C/N(c1ccccc1)C
Complexity: 343
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 3
RotatableBondCount: 6
Xlogp3: 3.4
CatalogNumber:
AI52951
ChemicalName:
Ethyl 4-[[(methylphenylamino)methylene]amino]benzoate
CasNumber:
57834-33-0
MolecularFormula:
C17H18N2O2
MolecularWeight:
282.337
MdlNumber:
MFCD09263624
Smiles:
CCOC(=O)c1ccc(cc1)/N=C/N(c1ccccc1)C
Complexity:
343
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
3
RotatableBondCount:
6
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI52953
ChemicalName: 4-Ethoxycarbonyl-2-nitrophenylboronic acid
CasNumber: 5785-70-6
MolecularFormula: C9H10BNO6
MolecularWeight: 238.9898
MdlNumber: MFCD02179460
Smiles: CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])B(O)O
Complexity: 292
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AI52953
ChemicalName:
4-Ethoxycarbonyl-2-nitrophenylboronic acid
CasNumber:
5785-70-6
MolecularFormula:
C9H10BNO6
MolecularWeight:
238.9898
MdlNumber:
MFCD02179460
Smiles:
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])B(O)O
Complexity:
292
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
RotatableBondCount:
4
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCN1CCCc2c1cc(cc2)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCN1CCCc2c1cc(cc2)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__